1-methyl-4-[4-[2-(4-nitrophenyl)ethanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[2-(4-nitrophenyl)ethanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[2-(4-nitrophenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[2-(4-nitrophenyl)acetyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O6S/c1-20-12-15(11-16(20)18(19)25)30(28,29)22-8-6-21(7-9-22)17(24)10-13-2-4-14(5-3-13)23(26)27/h2-5,11-12H,6-10H2,1H3,(H2,19,25)